Faculty of Physics

Homepage of HFampl code

About

Caclulation of X-ray emitted photoelectron scattering properties required to perform analysis of experimental EXAFS spectra.

See also: FEFF, IFEFFIT, Larch.

Features

• Exact Hartree-Fock treatment of isolated atom potential
• Non self-consistent potential between atoms in compound
• Output format is comaptible with FEFF one
• Runs under Linux and Windows platforms

Downloads

HFample manual is available online or in pdf.

Plase contact Prof. Bugaev L.A. or Dr. Avakyan L.A for source code and binaries downloads.

Reference

If you find the code useful please cite paper:

Bugaev, L., Shuvaeva, V., Alekseenko, I., Zhuchkov, K., Vedrinskii, R. "Determination of the local structure of NbO6 octahedra in the orthorhombic phase of a KNbO3 crystal using EXAFS" Phys. Solid State (1998) Vol. 40, pp. 1001-1005

Acknowledgment